N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide

C12H25N3O3S — CID 63859159

IUPACN-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(=O)N1CCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(11(16)15-7-5-6-8-15)13-9-12(2,3)14-19(4,17)18/h10,13-14H,5-9H2,1-4H3
InChIKeyZYDYRPRMZTXKTP-UHFFFAOYSA-N
MW291.42 g/mol
LogP-0.09
Rot. Bonds6

About N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide

N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide (PubChem CID 63859159) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
PubChem CID63859159
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC NameN-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide
SMILESCC(NCC(C)(C)NS(C)(=O)=O)C(=O)N1CCCC1
InChIInChI=1S/C12H25N3O3S/c1-10(11(16)15-7-5-6-8-15)13-9-12(2,3)14-19(4,17)18/h10,13-14H,5-9H2,1-4H3
InChIKeyZYDYRPRMZTXKTP-UHFFFAOYSA-N
XLogP-0.09
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[(2,2-difluoro-3-hydroxypropyl)amino]propan-1-one
CID 106176934
1-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)propan-1-one
CID 43089165
2-[(4-hydroxy-2,2-dimethylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114149934
N-[2-[(1-oxo-1-piperidin-1-ylpropan-2-yl)amino]ethyl]methanesulfonamide
CID 43545989
2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114163658
2-[(5-hydroxy-2,2-dimethylpentyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 106147291
2-[(2-hydroxy-4-methoxy-2-methylbutyl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 114164804
N'-hydroxy-2-[[2-(methanesulfonamido)-2-methylpropyl]amino]propanimidamide
CID 77029950
2-[(2-methyl-2-phenylpropyl)amino]-1-piperidin-1-ylpropan-1-one
CID 60988265
2-(2-hydroxypropylamino)-1-pyrrolidin-1-ylpropan-1-one
CID 43389372
N-(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)ethanesulfonamide
CID 112687583
N-[2-(methanesulfonamido)-2-methylpropyl]-2-(propan-2-ylamino)acetamide
CID 63865581

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide?
The IUPAC name of N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide (CID 63859159) is N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide?
The canonical SMILES for N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide is CC(NCC(C)(C)NS(C)(=O)=O)C(=O)N1CCCC1.
What is the InChIKey of N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide?
The InChIKey is ZYDYRPRMZTXKTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-10(11(16)15-7-5-6-8-15)13-9-12(2,3)14-19(4,17)18/h10,13-14H,5-9H2,1-4H3.
What are the key properties of N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide?
N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide has a molecular weight of 291.42 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-1-[(1-oxo-1-pyrrolidin-1-ylpropan-2-yl)amino]propan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).